4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine

C17H28N4 — CID 172524149

IUPAC4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine
SMILESCc1cc(C2CCCN(C)C2)nc(CN2CCCCC2)n1
InChIInChI=1S/C17H28N4/c1-14-11-16(15-7-6-8-20(2)12-15)19-17(18-14)13-21-9-4-3-5-10-21/h11,15H,3-10,12-13H2,1-2H3
InChIKeyJDRSXUBBZOSXGN-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.58
Rot. Bonds3

About 4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine

4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine (PubChem CID 172524149) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine
PubChem CID172524149
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine
SMILESCc1cc(C2CCCN(C)C2)nc(CN2CCCCC2)n1
InChIInChI=1S/C17H28N4/c1-14-11-16(15-7-6-8-20(2)12-15)19-17(18-14)13-21-9-4-3-5-10-21/h11,15H,3-10,12-13H2,1-2H3
InChIKeyJDRSXUBBZOSXGN-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanamine
CID 116892379
[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]methanethiol
CID 116894539
N-[[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]methyl]propan-2-amine
CID 116893231
2-[4-methyl-6-(1-methylpiperidin-3-yl)pyrimidin-2-yl]propan-1-amine
CID 116892733
N,N,2-trimethyl-6-[(3R)-1-methylpiperidin-3-yl]pyridin-4-amine
CID 125000369
2-(1-methylpiperidin-3-yl)-5-(piperidin-1-ylmethyl)pyridine
CID 172524114
4-methyl-6-(1-methylpiperidin-3-yl)-2-pyrrolidin-3-ylpyrimidine
CID 116893403
[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine
CID 80656209
(4S)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine
CID 124846046
(4R)-1-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]azepan-4-amine
CID 124846047
N,4-dimethyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 116894677
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
CID 80656567

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine?
The IUPAC name of 4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine (CID 172524149) is 4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine?
The canonical SMILES for 4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine is Cc1cc(C2CCCN(C)C2)nc(CN2CCCCC2)n1.
What is the InChIKey of 4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine?
The InChIKey is JDRSXUBBZOSXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-14-11-16(15-7-6-8-20(2)12-15)19-17(18-14)13-21-9-4-3-5-10-21/h11,15H,3-10,12-13H2,1-2H3.
What are the key properties of 4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine?
4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine has a molecular weight of 288.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-methylpiperidin-3-yl)-2-(piperidin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 172524149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).